Phonons, phase transitions and thermal expansion in LiAlO2: an ab initio density functional study
Author:
Affiliation:
1. Solid State Physics Division
2. Bhabha Atomic Research Centre
3. Mumbai
4. India
5. Homi Bhabha National Institute
Abstract
Ab initio calculation of Gibbs free energy, including phonon entropy, is used to determine the stability of various phases of LiAlO2.
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2018/CP/C8CP01474D
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